SCHEMBL22189118

SCHEMBL22189118

CCc1cc(N(CC)Cc2cc(F)ccc2OCCNC(=O)OC(C)(C)C)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.40
▸ AXL P30530 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ PLK1 P53350 3/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22189091 0.93 SCN9A (0.40) SCN9AAXLCA12CA1CA2
SCHEMBL29293585 0.82 SCN9A (0.48) SCN9AAXLCA12CA1CA2
SCHEMBL22189116 0.78 SCN9A (0.43) SCN9AAXLCA12CA1CA2
SCHEMBL21046006 0.78 SCN9A (0.38) SCN9AAXLCA12CA1CA2
SCHEMBL28963091 0.76 SCN9A (0.47) SCN9AAXLCA12CA1CA2
SCHEMBL16935926 0.75 SCN9A (0.46) SCN9AAXLCA12CA1CA2
SCHEMBL16946788 0.75 SCN9A (0.46) SCN9AAXLCA12CA1CA2
SCHEMBL21601225 0.73 AXL (0.50) SCN9AAXLCA12CA1CA2
SCHEMBL30882051 0.73 SCN9A (0.50) SCN9AAXLCA12CA1CA2
SCHEMBL7428314 0.73 SCN9A (0.53) SCN9AAXLCA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 SCN9A 1671/4885AXL 1172/4885CA12 4385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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